(4S)-3-ethanoyl-2-methyl-4-(2-nitrophenyl)-6-prop-2-ynylsulfanyl-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4S)-3-ethanoyl-2-methyl-4-(2-nitrophenyl)-6-prop-2-ynylsulfanyl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4S)-3-acetyl-2-methyl-4-(2-nitrophenyl)-6-prop-2-ynylsulfanyl-3,4-dihydropyridine-5-carbonitrile CAS Name: (4S)-3-acetyl-2-methyl-4-(2-nitrophenyl)-6-(prop-2-ynylthio)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4S)-3-acetyl-2-methyl-4-(2-nitrophenyl)-6-prop-2-ynylsulfanyl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4S)-3-acetyl-2-methyl-4-(2-nitrophenyl)-6-(propargylthio)-3,4-dihydropyridine-5-carbonitrile Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=CC=C2[N+](=O)[O-])C#N)SCC#C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=CC=CC=C2[N+](=O)[O-])C#N)SCC#C

InChI

InChI=1S/C18H15N3O3S/c1-4-9-25-18-14(10-19)17(16(12(3)22)11(2)20-18)13-7-5-6-8-15(13)21(23)24/h1,5-8,16-17H,9H2,2-3H3/t16?,17-/m0/s1